N-(4-propylcycloheptyl)isoquinolin-5-amine

C19H26N2 — CID 65086322

IUPACN-(4-propylcycloheptyl)isoquinolin-5-amine
SMILESCCCC1CCCC(Nc2cccc3cnccc23)CC1
InChIInChI=1S/C19H26N2/c1-2-5-15-6-3-8-17(11-10-15)21-19-9-4-7-16-14-20-13-12-18(16)19/h4,7,9,12-15,17,21H,2-3,5-6,8,10-11H2,1H3
InChIKeyHYZAVVKEWGKGKN-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.40
Rot. Bonds4

About N-(4-propylcycloheptyl)isoquinolin-5-amine

N-(4-propylcycloheptyl)isoquinolin-5-amine (PubChem CID 65086322) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(4-propylcycloheptyl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(4-propylcycloheptyl)isoquinolin-5-amine
PubChem CID65086322
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-(4-propylcycloheptyl)isoquinolin-5-amine
SMILESCCCC1CCCC(Nc2cccc3cnccc23)CC1
InChIInChI=1S/C19H26N2/c1-2-5-15-6-3-8-17(11-10-15)21-19-9-4-7-16-14-20-13-12-18(16)19/h4,7,9,12-15,17,21H,2-3,5-6,8,10-11H2,1H3
InChIKeyHYZAVVKEWGKGKN-UHFFFAOYSA-N
XLogP5.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(4-propylcyclohexyl)pyridin-3-amine
CID 63464553
N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
N-(thian-4-yl)isoquinolin-5-amine
CID 43681409
3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
CID 104776939
N-(3-chloro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65087052
N-(3-fluoro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091174
4-chloro-N-(4-ethylcycloheptyl)pyridin-3-amine
CID 83167821
3-chloro-2-N,2-N-dimethyl-1-N-(4-propylcycloheptyl)benzene-1,2-diamine
CID 65086873
N-[(1R,3R)-3-ethylcyclohexyl]-N'-isoquinolin-5-yloxamide
CID 95775673
N-(4-propylcycloheptyl)pyrimidin-5-amine
CID 107588235
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
CID 65087116

Frequently Asked Questions

What is the IUPAC name of N-(4-propylcycloheptyl)isoquinolin-5-amine?
The IUPAC name of N-(4-propylcycloheptyl)isoquinolin-5-amine (CID 65086322) is N-(4-propylcycloheptyl)isoquinolin-5-amine.
What is the SMILES notation for N-(4-propylcycloheptyl)isoquinolin-5-amine?
The canonical SMILES for N-(4-propylcycloheptyl)isoquinolin-5-amine is CCCC1CCCC(Nc2cccc3cnccc23)CC1.
What is the InChIKey of N-(4-propylcycloheptyl)isoquinolin-5-amine?
The InChIKey is HYZAVVKEWGKGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-5-15-6-3-8-17(11-10-15)21-19-9-4-7-16-14-20-13-12-18(16)19/h4,7,9,12-15,17,21H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of N-(4-propylcycloheptyl)isoquinolin-5-amine?
N-(4-propylcycloheptyl)isoquinolin-5-amine has a molecular weight of 282.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcycloheptyl)isoquinolin-5-amine is sourced from PubChem (CID 65086322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).